SCHEMBL25510484

SCHEMBL25510484

CC(C)CC(O)N1CCOC1=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
PIK3CD O00329 3/20 0.42
NAAA Q02083 1/20 0.35
POLB P06746 1/20 0.31
PER2 O15055 1/20 0.31
CRY2 Q49AN0 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1031977 0.81 KDM4E (0.41) KDM4EPIK3CDNAAAPER2CRY2
SCHEMBL149338 0.79
SCHEMBL16044897 0.79
SCHEMBL3472684 0.76 KDM4E (0.41) KDM4EPIK3CDNAAA
SCHEMBL1106523 0.74
SCHEMBL14967979 0.72
SCHEMBL17037476 0.72 PIK3CD (0.56) KDM4EPIK3CDNAAAPER2CRY2
SCHEMBL13330255 0.72 KDM4E (0.46) KDM4EPIK3CDNAAA
SCHEMBL6551930 0.71 KDM4E (0.43) KDM4EPIK3CDNAAA
SCHEMBL23663784 0.71 KDM4E (0.49) KDM4EPIK3CDNAAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023084124-A1 NOVEL BETA-LACTONE INHIBITORS OF HYDROLYTIC ENZYMES AND THEIR MEDICAL AND NON MEDICAL USES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-19 WO disclosed